2-methoxyethyl 6-(5-bromanyl-2-fluoranyl-phenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl 6-(5-bromanyl-2-fluoranyl-phenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl 6-(5-bromo-2-fluoro-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(5-bromo-2-fluorophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 6-(5-bromo-2-fluorophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(5-bromo-2-fluoro-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H20BrFN2O3S MolecularWeight: 479.362503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=C(C=CC(=C3)Br)F)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=C(C=CC(=C3)Br)F)C(=O)OCCOC

InChI

InChI=1S/C21H20BrFN2O3S/c1-13-18(20(26)28-11-10-27-2)19(16-12-14(22)8-9-17(16)23)24-21(29)25(13)15-6-4-3-5-7-15/h3-9,12,19H,10-11H2,1-2H3,(H,24,29)